6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide

C13H9ClF3N3O — CID 58440060

IUPAC6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)cc1NCc1c(F)ccc(F)c1F
InChIInChI=1S/C13H9ClF3N3O/c14-11-3-10(7(5-20-11)13(18)21)19-4-6-8(15)1-2-9(16)12(6)17/h1-3,5H,4H2,(H2,18,21)(H,19,20)
InChIKeyHVXPNNQRTGWAIE-UHFFFAOYSA-N
MW315.68 g/mol
LogP2.86
Rot. Bonds4

About 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide

6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 58440060) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID58440060
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC Name6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)cc1NCc1c(F)ccc(F)c1F
InChIInChI=1S/C13H9ClF3N3O/c14-11-3-10(7(5-20-11)13(18)21)19-4-6-8(15)1-2-9(16)12(6)17/h1-3,5H,4H2,(H2,18,21)(H,19,20)
InChIKeyHVXPNNQRTGWAIE-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 58439948
6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 58450631
6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 46209281
6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
CID 58440270
2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide
CID 71978030
6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 89065817
6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
CID 58440318
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 165112300
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
CID 144625083
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
CID 123575616

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide (CID 58440060) is 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(Cl)cc1NCc1c(F)ccc(F)c1F.
What is the InChIKey of 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is HVXPNNQRTGWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c14-11-3-10(7(5-20-11)13(18)21)19-4-6-8(15)1-2-9(16)12(6)17/h1-3,5H,4H2,(H2,18,21)(H,19,20).
What are the key properties of 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide?
6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 315.68 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 58440060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).